SCHEMBL20022802

SCHEMBL20022802

Cn1cc(C2=CC(O)CN(CC(=O)c3ccccc3)C2)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ALDH1A1 P00352 1/20 0.36
BRD4 O60885 1/20 0.36
GRIN2B Q13224 8/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CREBBP Q92793 1/20 0.34
CARM1 Q86X55 1/20 0.34
SRC P12931 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20022797 0.81 ALDH1A1 (0.39) MKNK1MKNK2ALDH1A1BRD4GRIN2B
SCHEMBL20022803 0.81 BRD4 (0.31) MKNK1MKNK2BRD4GRIN2BSLC6A4
SCHEMBL20022798 0.79 GRIN2B (0.33) MKNK1MKNK2BRD4GRIN2BRAB9A
SCHEMBL20028554 0.78 BRD4 (0.39) BRD4SCDSCD5CREBBP
SCHEMBL20022789 0.75 KDR (0.37) MKNK1MKNK2ALDH1A1BRD4GRIN2B
SCHEMBL20022782 0.70 ALDH1A1 (0.37) ALDH1A1GRIN2BSMN1; SMN2
SCHEMBL6399748 0.65 ALDH1A1 (0.56) ALDH1A1GRIN2BSMN1; SMN2SLC6A4SLC6A3
SCHEMBL15164429 0.64 ALDH1A1 (0.57) ALDH1A1GRIN2BRAB9ASMN1; SMN2SLC6A4
SCHEMBL20028553 0.63 BRD4 (0.38) ALDH1A1BRD4SCDSCD5CREBBP
SCHEMBL4875267 0.61 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2018-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections NQO1, PEPD, LCT MKNK1 2591/4885MKNK2 3342/4885ALDH1A1 830/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.